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| Ligand ID | 14T |
| InChI | InChI=1S/C14H15F4NO6/c15-6-2-1-5(3-7(6)16)24-14-9(19-13(23)12(17)18)11(22)10(21)8(4-20)25-14/h1-3,8-12,14,20-22H,4H2,(H,19,23)/t8-,9-,10-,11-,14-/m1/s1 |
| InChIKey | YFQSDCPFGCAUBD-GOBQNSBTSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.352 | OC[C@H]1O[C@@H](Oc2ccc(F)c(F)c2)[C@H](NC(=O)C(F)F)[C@@H](O)[C@@H]1O | | CACTVS 3.352 | OC[CH]1O[CH](Oc2ccc(F)c(F)c2)[CH](NC(=O)C(F)F)[CH](O)[CH]1O | | OpenEye OEToolkits 1.6.1 | c1cc(c(cc1OC2C(C(C(C(O2)CO)O)O)NC(=O)C(F)F)F)F | | OpenEye OEToolkits 1.6.1 | c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F | | ACDLabs 10.04 | FC(F)C(=O)NC2C(O)C(O)C(OC2Oc1cc(F)c(F)cc1)CO |
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| Formula | C14 H15 F4 N O6 |
| Name | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside;
3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucoside;
3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-D-glucoside;
3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-glucoside |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058632992
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| PDB chain | 2x0h Chain B Residue 1000
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[View ligand structure]
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